3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide

C25H18N4O — CID 1357967

IUPAC3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C25H18N4O/c30-25(29-26-16-19-11-5-9-17-7-1-3-12-20(17)19)24-15-23(27-28-24)22-14-6-10-18-8-2-4-13-21(18)22/h1-16H,(H,27,28)(H,29,30)
InChIKeyBIEJKSHOYPQRPZ-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.15
Rot. Bonds4

About 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide

3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 1357967) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID1357967
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C25H18N4O/c30-25(29-26-16-19-11-5-9-17-7-1-3-12-20(17)19)24-15-23(27-28-24)22-14-6-10-18-8-2-4-13-21(18)22/h1-16H,(H,27,28)(H,29,30)
InChIKeyBIEJKSHOYPQRPZ-UHFFFAOYSA-N
XLogP5.15
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 1390076
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 135437789
methyl 4-[(E)-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
CID 6872304
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 4213506
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025460
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
3-(2-chlorophenyl)-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136791878
N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 696745
N-[(Z)-naphthalen-1-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395131
3-(2-butoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135641959
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide (CID 1357967) is 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide is O=C(NN=Cc1cccc2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is BIEJKSHOYPQRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c30-25(29-26-16-19-11-5-9-17-7-1-3-12-20(17)19)24-15-23(27-28-24)22-14-6-10-18-8-2-4-13-21(18)22/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1357967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).